Focused On-demand Library for Beta-1,3-N-acetylglucosaminyltransferase lunatic fringe

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q8NES3

UPID:
LFNG_HUMAN

ALTERNATIVE NAMES:
O-fucosylpeptide 3-beta-N-acetylglucosaminyltransferase

ALTERNATIVE UPACC:
Q8NES3; B3KTY6; B5MCR5; O00589; Q96C39; Q9UJW5

BACKGROUND:
The enzyme Beta-1,3-N-acetylglucosaminyltransferase lunatic fringe, alternatively known as O-fucosylpeptide 3-beta-N-acetylglucosaminyltransferase, is essential for the proper function of the NOTCH signaling pathway. It specifically alters O-fucose residues on NOTCH molecules, affecting their interaction with ligands such as JAG1 and DLL1, which is vital for cell differentiation and development.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in the pathogenesis of Spondylocostal dysostosis 3, targeting Beta-1,3-N-acetylglucosaminyltransferase lunatic fringe presents a promising avenue for therapeutic intervention. The enzyme's function in modulating NOTCH signaling offers a unique opportunity for developing treatments for disorders stemming from NOTCH pathway dysregulation.

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